5D60

Structure of Chaetomium thermophilum Skn7 coiled-coil domain, crystal form III

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID29
Synchrotron site	ESRF
Beamline	ID29
Temperature [K]	100
Detector technology	PIXEL
Collection date	2014-05-17
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97625
Spacegroup name	P 1 21 1
Unit cell lengths	50.730, 40.202, 52.777
Unit cell angles	90.00, 118.57, 90.00

Refinement procedure

Resolution	44.550 - 1.900
R-factor	0.2432
Rwork	0.240
R-free	0.29470
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5d5y
RMSD bond length	0.019
RMSD bond angle	1.757
Data reduction software	XDS
Data scaling software	Aimless (0.1.27)
Phasing software	MOLREP
Refinement software	REFMAC (5.7.0029)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	44.550	44.550	1.940
High resolution limit [Å]	1.900	9.090	1.900
Rmerge	0.069	0.050	0.599
Rpim	0.048	0.035	0.407
Total number of observations	41428	365	2597
Number of reflections	14684
<I/σ(I)>	7.2	16.3	1.7
Completeness [%]	97.8	92.5	96.6
Redundancy	2.8	2.5	2.8
CC(1/2)	0.998	0.999	0.722

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	291	25 % PEG-3350, 0.2 M MgCl2 and 0.1 M Bis-Tris pH 5.5